Pressure-induced structure, elasticity, intrinsic hardness and ideal strength of tetragonal C<sub>4</sub>N-Reference-Cited by-同舟云学术

Pressure-induced structure, elasticity, intrinsic hardness and ideal strength of tetragonal C₄N

Published:2022 Issue:8 Volume:24 Page:5171-5184
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Shi Zhijun¹²,Shao Wei¹,Rao Lixiang¹,Xing Xiaolei³,Zhou Yefei³,Ren Xuejun⁴,Yang Qingxiang¹^ORCID

Affiliation:

1. State Key Laboratory of Metastable Materials Science & Technology, Yanshan University, Qinhuangdao 066004, P. R. China

2. State Key Laboratory of Tribology, Tsinghua University, Beijing 100084, P. R. China

3. College of Mechanical Engineering, Yanshan University, Qinhuangdao 066004, P. R. China

4. School of Engineering, Liverpool John Moores University, Liverpool L3 3AF, UK

Abstract

The novel t-C4N predicted via CALYPSO could be a potential superhard material, with pressure-induced hardness reduction, mechanical properties and anisotropy increase. The hardness reduction is related to anisotropy increase.

Funder

National Natural Science Foundation of China

H2020 Marie Skłodowska-Curie Actions

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP05163F

Reference68 articles.

1. Ultrahard polycrystalline diamond from graphite

2. Electrostatic patterning on graphene with dipolar self-assembly

3. Graphenylene: a promising anode material for lithium-ion batteries with high mobility and storage

4. Elastic, Electronic, and Optical Properties of Two-Dimensional Graphyne Sheet

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